Vitas-M small molecule compound
diethyl 2-(6-ethoxy-1-hexanoyl-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK789398
SMILES CCCCCC(=O)N1c2ccc(cc2/C(=C\2/SC(=C(S2)C(=O)OCC)C(=O)OCC)/C(=S)C1(C)C)OCC
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C28H35NO6S3 MW 577.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H35NO6S3/c1-7-11-12-13-20(30)29-19-15-14-17(33-8-2)16-18(19)21(24(36)28(29,5)6)27-37-22(25(31)34-9-3)23(38-27)26(32)35-10-4/h14-16H,7-13H2,1-6H3InChIKey
UPFUQHOFOZRJBC-UHFFFAOYSA-NSynonyms
CCCCCC(=O)N1C2=C(C=C(C=C2)OCC)C(=C3SC(=C(S3)C(=O)OCC)C(=O)OCC)C(=S)C1(C)C
CCCCCC(=O)N1c2ccc(cc2C(=C2SC(=C(S2)C(=O)OCC)C(=O)OCC)C(=S)C1(C)C)OCC
DIETHYL2(6ETHOXY1HEXANOYL22DIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
DIETHYL2(6ETHOXY1HEXANOYL22DIMETHYL3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)13DITHIOLE45DICARBOXYLATE
diethyl2(6ethoxy1hexanoyl22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
ETHYL5(ETHOXYCARBONYL)2(6ETHOXY1HEXANOYL22DIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))13DITHIOLENE4CARBOXYLATE
InChI=1SC28H35NO6S3c1711121320(30)2919151417(3382)1618(19)21(24(36)28(295)6)273722(25(31)3493)23(3827)26(32)35104h1416H713H216H3
MFCD01156156
ZINC000006471741
ZINC06471741
ZINC6471741
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